[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] butanoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] butanoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] butanoate CAS Name: butanoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] butanoate Traditional Name: butyric acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C13H13N3O5 MolecularWeight: 291.25942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N

Isomeric SMILES

CCCC(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H13N3O5/c1-2-3-13(18)21-8-12(17)15-11-5-4-10(16(19)20)6-9(11)7-14/h4-6H,2-3,8H2,1H3,(H,15,17)